sodium [1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-(oxolan-3-yloxycarbonylamino)-4-phenyl-butan-2-yl]oxy-oxidaniumyl-phosphinate

Systemtic Name: sodium [1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-(oxolan-3-yloxycarbonylamino)-4-phenyl-butan-2-yl]oxy-oxidaniumyl-phosphinate Openeye Name: sodium [1-[[(4-aminophenyl)sulfonyl-isobutyl-amino]methyl]-3-phenyl-2-(tetrahydrofuran-3-yloxycarbonylamino)propoxy]-oxonio-phosphinate CAS Name: sodium [1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-[[oxo(3-oxolanyloxy)methyl]amino]-4-phenylbutan-2-yl]oxy-oxoniophosphinate IUPAC Name: sodium [1-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-(oxolan-3-yloxycarbonylamino)-4-phenylbutan-2-yl]oxy-oxoniophosphinate Traditional Name: sodium [1-[[isobutyl(sulfanilyl)amino]methyl]-3-phenyl-2-(tetrahydrofuran-3-yloxycarbonylamino)propoxy]-oxonio-phosphinate Formula: C25H36N3NaO9PS+ MolecularWeight: 608.596571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)OP(=O)([OH2+])[O-])S(=O)(=O)C3=CC=C(C=C3)N.[Na+]

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)OP(=O)([OH2+])[O-])S(=O)(=O)C3=CC=C(C=C3)N.[Na+]

InChI

InChI=1S/C25H36N3O9PS.Na/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21;/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32);/q;+1